Name: Name:1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-triiodo-, 1,3-dimethyl ester
Brand: Angene
SKU: AG001NHP
Rating: 90 (10 reviews)

1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-triiodo-, 1,3-dimethyl ester

CAS No.:

154921-11-6

Catalog Number:

AG001NHP

Molecular Formula:

C10H8I3NO4

Molecular Weight:

586.8882

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Product Description

Catalog Number:

AG001NHP

Chemical Name:

1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-triiodo-, 1,3-dimethyl ester

CAS Number:

154921-11-6

Molecular Formula:

C10H8I3NO4

Molecular Weight:

586.8882

MDL Number:

MFCD00048039

IUPAC Name:

dimethyl 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylate

InChI:

InChI=1S/C10H8I3NO4/c1-17-9(15)3-5(11)4(10(16)18-2)7(13)8(14)6(3)12/h14H2,1-2H3

InChI Key:

ZHGAAXSHLQHKEP-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(I)c(C(=O)OC)c(c(c1I)N)I

Properties

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

586.759g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

586.89g/mol

Monoisotopic Mass:

586.759g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Dimethyl 5-amino-2,4,6-triiodo-isophthalate.	Acta crystallographica. Section E, Structure reports online 20100201